6-(4-bromophenyl)-3-(2-phenylethyl)-2,5-bis(sulfanylidene)-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one--N,N-diethylethanamine (1/1)
Chemical Structure Depiction of
6-(4-bromophenyl)-3-(2-phenylethyl)-2,5-bis(sulfanylidene)-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one--N,N-diethylethanamine (1/1)
6-(4-bromophenyl)-3-(2-phenylethyl)-2,5-bis(sulfanylidene)-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one--N,N-diethylethanamine (1/1)
Compound characteristics
| Compound ID: | A0062746 |
| Compound Name: | 6-(4-bromophenyl)-3-(2-phenylethyl)-2,5-bis(sulfanylidene)-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one--N,N-diethylethanamine (1/1) |
| Molecular Weight: | 577.63 |
| Molecular Formula: | C19 H14 Br N3 O S3 |
| Salt: | (C2H5)3N |
| Smiles: | C(CN1C2=C(C(N(C(N2)=S)c2ccc(cc2)[Br])=O)SC1=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9607 |
| logD: | 4.9606 |
| logSw: | -4.7906 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.0913 |
| InChI Key: | LJYUIPUPIOCMNN-UHFFFAOYSA-N |